2-[7-methoxy-1'-neopentyl-4-(trifluoromethyl)-1,2-dihydrospiro[indole-3,4'-piperidine]-1-yl]aniline | 1554015-60-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-[7-methoxy-1'-neopentyl-4-(trifluoromethyl)-1,2-dihydrospiro[indole-3,4'-piperidine]-1-yl]aniline
• 英文别名: 2-(7-methoxy-1'-neopentyl-4-(trifluoromethyl)spiro[indoline-3,4'-piperidine]-1-yl)aniline；2-[1'-(2,2-dimethylpropyl)-7-methoxy-4-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]aniline
• CAS: 1554015-60-9
• 化学式: C₂₅H₃₂F₃N₃O
• 分子量: 447.544
• InChiKey: QEFVXEDMNFYKGV-UHFFFAOYSA-N

物化性质

• 沸点：
  544.7±50.0 °C(predicted)
• 密度：
  1.23±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  41.7
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-[7-methoxy-1'-neopentyl-4-(trifluoromethyl)-1,2-dihydrospiro[indole-3,4'-piperidine]-1-yl]aniline 在 4-二甲氨基吡啶 、 三氯化硼 、 四丁基碘化铵 、 sodium carbonate 、 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 33.25h， 生成 methyl 1-(2-(3-(6-fluorobenzo[d]thiazol-2-yl)ureido)phenyl)-7-hydroxy-1'-neopentylspiro[indoline-3,4'-piperidine]-4-carboxylate
  参考文献：
  名称：

  [EN] 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR
  [FR] ANTAGONISTES DE 7-HYDROXY-SPIROPIPIPÉRIDINE INDOLINYLE DU RÉCEPTEUR P2Y1

  摘要：

  本发明提供了如规范中定义的Formula (I)的化合物，以及包含任何此类新化合物的组合物。这些化合物是Ρ2Y1受体的拮抗剂，可用作治疗和/或预防血栓栓塞性疾病的药物。

  公开号：

  WO2014022349A1

文献信息

• [EN] AMINO-HETEROARYL 7-HYDROXY-SPIROPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR<br/>[FR] ANTAGONISTES D'AMINO-HÉTÉROARYLE 7-HYDROXYSPIROPIPÉRIDINE INDOLINYLE DU RÉCEPTEUR P2Y1
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2014022253A1

  公开（公告）日：2014-02-06

  The present invention provides compounds of Formula (I): as defined in the specification and compositions comprising any of such novel compounds. These compounds are antagonists of P2Y1 receptor which may be used as medicaments.

  本发明提供了如规范中定义的Formula (I)的化合物，以及包含任何此类新化合物的组合物。这些化合物是P2Y1受体的拮抗剂，可用作药物。
• 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20150166538A1

  公开（公告）日：2015-06-18

  The present invention provides compounds of Formula (I): as defined in the specification and compositions comprising any of such novel compounds. These compounds are antagonists of P2Y 1 receptor and may be used as medicaments in the treatment and/or prophylaxis of thromboembolic disorders.

  本发明提供了式(I)的化合物：如规范中定义的和包含任何此类新化合物的组合物。这些化合物是P2Y1受体的拮抗剂，可用作治疗和/或预防血栓栓塞性疾病的药物。
• 2-Amino-1,3,4-thiadiazoles in the 7-hydroxy-N-neopentyl spiropiperidine indolinyl series as potent P2Y1 receptor antagonists
  作者：Carol H. Hu、Jennifer X. Qiao、Ying Han、Tammy C. Wang、Ji Hua、Laura A. Price、Qimin Wu、Hong Shen、Christine S. Huang、Robert Rehfuss、Ruth R. Wexler、Patrick Y.S. Lam

  DOI：10.1016/j.bmcl.2014.04.011

  日期：2014.6

  Blockade of the P2Y(1) receptor is important to the treatment of thrombosis with potentially improved safety margins compared with P2Y(12) receptor antagonists. Investigation of a series of urea surrogates of the diaryl urea lead 3 led to the discovery of 2-amino-1,3,4-thiadiazoles in the 7-hydroxy-N-neopentyl spiropiperidine indolinyl series as potent P2Y(1) receptor antagonists, among which compound 5a was the most potent and the first non-urea analog with platelet aggregation (PA) IC50 less than 0.5 mu M with 10 mu M ADP. Several 2-amino-1,3,4-thiadiazole analogs such as 5b and 5f had a more favorable pharmacokinetic profile, such as higher C-trough, lower Cl, smaller V-dss, and similar bioavailability compared with 3. (C) 2014 Elsevier Ltd. All rights reserved.
• AMINO-HETEROARYL 7-HYDROXY-SPIROPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR
  申请人：Bristol-Myers Squibb Company

  公开号：EP2880034B1

  公开（公告）日：2016-06-22
• US9120798B2
  申请人：——

  公开号：US9120798B2

  公开（公告）日：2015-09-01